CID 43395120

N-ethyl-4-methylphthalazin-1-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CCNC1=NN=C(C2=CC=CC=C21)C
InChI
InChI=1S/C11H13N3/c1-3-12-11-10-7-5-4-6-9(10)8(2)13-14-11/h4-7H,3H2,1-2H3,(H,12,14)
InChIKey
LJPOAWCOWJDEGW-UHFFFAOYSA-N
Compound name
N-ethyl-4-methylphthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.11095 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 140.5
[M+Na]+ 210.10017 149.7
[M-H]- 186.10367 142.6
[M+NH4]+ 205.14477 158.8
[M+K]+ 226.07411 145.9
[M+H-H2O]+ 170.10821 132.7
[M+HCOO]- 232.10915 162.7
[M+CH3COO]- 246.12480 187.2
[M+Na-2H]- 208.08562 150.0
[M]+ 187.11040 141.0
[M]- 187.11150 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe